Geometry & MOs

Info

ID:	55828
PubChem CID:	17396622
Reduced:	NO5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	365.107479
ΔH_f, kcal/mol:	-140.66
Dipole, Da:	6.45
IP(EA), eV:	-9.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3,4-difluorobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC3=C(C=C2)C=C(C=C3)OC

DOS

IR

Vibrations